4-(4-benzylpiperazin-1-yl)-N-(2,7-dimethyl-3,6-dioxooctan-4-yl)benzamide

C28H37N3O3 — CID 20871735

IUPAC4-(4-benzylpiperazin-1-yl)-N-(2,7-dimethyl-3,6-dioxooctan-4-yl)benzamide
SMILESCC(C)C(=O)CC(NC(=O)c1ccc(N2CCN(Cc3ccccc3)CC2)cc1)C(=O)C(C)C
InChIInChI=1S/C28H37N3O3/c1-20(2)26(32)18-25(27(33)21(3)4)29-28(34)23-10-12-24(13-11-23)31-16-14-30(15-17-31)19-22-8-6-5-7-9-22/h5-13,20-21,25H,14-19H2,1-4H3,(H,29,34)
InChIKeyNYPKAWQLEFSXMS-UHFFFAOYSA-N
MW463.62 g/mol
LogP3.95
Rot. Bonds10

About 4-(4-benzylpiperazin-1-yl)-N-(2,7-dimethyl-3,6-dioxooctan-4-yl)benzamide

4-(4-benzylpiperazin-1-yl)-N-(2,7-dimethyl-3,6-dioxooctan-4-yl)benzamide (PubChem CID 20871735) has the molecular formula C28H37N3O3 and a molecular weight of 463.62 g/mol. Its IUPAC name is 4-(4-benzylpiperazin-1-yl)-N-(2,7-dimethyl-3,6-dioxooctan-4-yl)benzamide.

Molecular Properties

Compound Name4-(4-benzylpiperazin-1-yl)-N-(2,7-dimethyl-3,6-dioxooctan-4-yl)benzamide
PubChem CID20871735
Molecular FormulaC28H37N3O3
Molecular Weight463.62 g/mol
Exact Mass463.28
IUPAC Name4-(4-benzylpiperazin-1-yl)-N-(2,7-dimethyl-3,6-dioxooctan-4-yl)benzamide
SMILESCC(C)C(=O)CC(NC(=O)c1ccc(N2CCN(Cc3ccccc3)CC2)cc1)C(=O)C(C)C
InChIInChI=1S/C28H37N3O3/c1-20(2)26(32)18-25(27(33)21(3)4)29-28(34)23-10-12-24(13-11-23)31-16-14-30(15-17-31)19-22-8-6-5-7-9-22/h5-13,20-21,25H,14-19H2,1-4H3,(H,29,34)
InChIKeyNYPKAWQLEFSXMS-UHFFFAOYSA-N
XLogP3.95
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.62
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(4-benzylpiperazin-1-yl)-N-(2,7-dimethyl-3,6-dioxooctan-4-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2R)-butan-2-yl]-4-[(4-phenylpiperazin-1-yl)methyl]benzamide
CID 1362793
N-methyl-4-[(4-phenylpiperazin-1-yl)methyl]benzamide
CID 1364206
5-(4-benzylpiperazin-1-yl)-N-propan-2-ylpyridine-3-carboxamide
CID 109223207
N-[4-(4-benzylpiperazin-1-yl)phenyl]-3,4-diethoxybenzamide
CID 42313246
1-[4-(4-benzylpiperazin-1-yl)phenyl]-2-bromoethanone
CID 58566079
N-[1-(4-benzylpiperazin-1-yl)-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide
CID 4801675
N-[(2S)-3-amino-1-(hydroxyamino)-1-oxopropan-2-yl]-4-[2-[4-[(4-phenylpiperazin-1-yl)methyl]phenyl]ethynyl]benzamide
CID 59697625
N-[3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]-4-[4-[4-(morpholin-4-ylmethyl)phenyl]piperazin-1-yl]benzamide
CID 91504815
methyl 2-[4-(4-benzylpiperazin-1-yl)phenyl]-2-methylpropanoate
CID 69085600
N-[2-[[4-(4-benzyl-1,4-diazepan-1-yl)benzoyl]amino]-3-hydroxyphenyl]-4-methylbenzamide
CID 59108382
4-chloro-N-[1-[4-(4-hydroxyphenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 112763066
methyl 2-[4-[[4-(4-benzylpiperazin-1-yl)benzoyl]amino]piperidin-1-yl]acetate
CID 54229944

Frequently Asked Questions

What is the IUPAC name of 4-(4-benzylpiperazin-1-yl)-N-(2,7-dimethyl-3,6-dioxooctan-4-yl)benzamide?
The IUPAC name of 4-(4-benzylpiperazin-1-yl)-N-(2,7-dimethyl-3,6-dioxooctan-4-yl)benzamide (CID 20871735) is 4-(4-benzylpiperazin-1-yl)-N-(2,7-dimethyl-3,6-dioxooctan-4-yl)benzamide.
What is the SMILES notation for 4-(4-benzylpiperazin-1-yl)-N-(2,7-dimethyl-3,6-dioxooctan-4-yl)benzamide?
The canonical SMILES for 4-(4-benzylpiperazin-1-yl)-N-(2,7-dimethyl-3,6-dioxooctan-4-yl)benzamide is CC(C)C(=O)CC(NC(=O)c1ccc(N2CCN(Cc3ccccc3)CC2)cc1)C(=O)C(C)C.
What is the InChIKey of 4-(4-benzylpiperazin-1-yl)-N-(2,7-dimethyl-3,6-dioxooctan-4-yl)benzamide?
The InChIKey is NYPKAWQLEFSXMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37N3O3/c1-20(2)26(32)18-25(27(33)21(3)4)29-28(34)23-10-12-24(13-11-23)31-16-14-30(15-17-31)19-22-8-6-5-7-9-22/h5-13,20-21,25H,14-19H2,1-4H3,(H,29,34).
What are the key properties of 4-(4-benzylpiperazin-1-yl)-N-(2,7-dimethyl-3,6-dioxooctan-4-yl)benzamide?
4-(4-benzylpiperazin-1-yl)-N-(2,7-dimethyl-3,6-dioxooctan-4-yl)benzamide has a molecular weight of 463.62 g/mol, XLogP of 3.95, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-benzylpiperazin-1-yl)-N-(2,7-dimethyl-3,6-dioxooctan-4-yl)benzamide is sourced from PubChem (CID 20871735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).